CID 48710

6-azabicyclo(3.2.1)octane, 6-cyclopentyl-1-(m-hydroxyphenyl)-7-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H27NO
SMILES
CC1C2(CCCC(C2)N1C3CCCC3)C4=CC(=CC=C4)O
InChI
InChI=1S/C19H27NO/c1-14-19(15-6-4-10-18(21)12-15)11-5-9-17(13-19)20(14)16-7-2-3-8-16/h4,6,10,12,14,16-17,21H,2-3,5,7-9,11,13H2,1H3
InChIKey
DWUUASDMLDNNMM-UHFFFAOYSA-N
Compound name
3-(6-cyclopentyl-7-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.216536 171.5
[M+Na]+ 308.198478 176.1
[M-H]- 284.201984 177.2
[M+NH4]+ 303.243083 192.1
[M+K]+ 324.172418 170.6
[M+H-H2O]+ 268.206520 164.1
[M+HCOO]- 330.207461 185.6
[M+CH3COO]- 344.223111 181.3
[M+Na-2H]- 306.183926 169.8
[M]+ 285.20871142 165.0
[M]- 285.20980858 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.